Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C=NC1CC1
- InChIKey
- DBBRJAWSDTYYBM-UHFFFAOYSA-N
- 分子式
- C4H5NO
- 平均分子量
- 83.09 g/mol
- 单同位素质量
- 83.03711378
COMPUTED
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 29.4 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 6
- 形式电荷
- 0
- 复杂度
- 89
物化、安全与法规信息正在同步。
ALIASES
名称与别名
isocyanatocyclopropanecyclopropane, isocyanato-CYCLOPROPYL,ISOCYANATEDTXSID40348478RefChem:791712DTXCID20299550InChI=1/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H4747-72-2Cyclopropyl isocyanateMFCD02093694cyclopropylisocyanateisocyanato cyclopropaneIsocyanato-cyclopropaneSCHEMBL247292SCHEMBL3866357DBBRJAWSDTYYBM-UHFFFAOYSA-NAC8066AKOS000193979AB10805FC166324
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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